Elismetrep
기본 정보
- CAS
1400699-64-0- 표준 SMILES
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1- InChIKey
CWEFDWIKLABKBX-UHFFFAOYSA-N- 분자식
- C27H21F3N2O5S
- 평균 분자량
- 542.5 g/mol
- 단동위원소 질량
- 542.11232743
개요
Elismetrep is under investigation in clinical trial NCT02429102 (A Study to Investigate the Safety, Tolerability and Pharmacokinetics of MT-8554 in Healthy Subjects).
이름 및 식별자
- 우선 이름
- Elismetrep
- IUPAC
- 4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
- 영어명
- Elismetrep
- 분자식
- C27H21F3N2O5S
- 분자량
- 542.53
이름 및 동의어
Elismetrep1400699-64-0KIB8V5UR7DMT-8554MT85544-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid4-(((4-Cyclopropyl-3-isoquinolinyl)((4-(trifluoromethoxy)phenyl)methyl)amino)sulfonyl)benzoic acidBenzoic acid, 4-(((4-cyclopropyl-3-isoquinolinyl)((4-(trifluoromethoxy)phenyl)methyl)amino)sulfonyl)-elismetrepum4-((4-cyclopropylisoquinolin-3-yl)-((4-(trifluoromethoxy)phenyl)methyl)sulfamoyl)benzoic acidRefChem:10840724-((4-cyclopropylisoquinolin-3-yl)(((4-(trifluoromethoxy)phenyl)methyl))sulfamoyl)benzoic acid
이름 더 보기
Benzoic acid, 4-[[(4-cyclopropyl-3-isoquinolinyl)[[4-(trifluoromethoxy)phenyl]methyl]amino]sulfonyl]-4-[[(4-Cyclopropyl-3-isoquinolinyl)[[4-(trifluoromethoxy)phenyl]methyl]amino]sulfonyl]benzoic acid (ACI)
Elismetrep [INN]Elismetrep [USAN]Elismetrep [USAN:INN]UNII-KIB8V5UR7DWHO 107084-(N-(4-Cyclopropylisoquinolin-3-yl)-N-(4-(trifluoromethoxy)benzyl)sulfamoyl)benzoic acidElismetrep (USAN/INN)GTPL9774
데이터베이스 식별자
- CAS
1400699-64-0- PubChem CID
- 66548125
- ChEMBL
CHEMBL3682589- UNII
- KIB8V5UR7D
- Nikkaji
- J3.761.585D
물성
구조 계산 물성
- XLogP
- 6.3
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 922
물리화학적 성질
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
관련 반응
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